CID 53713

N-(5,5-dimethyl-2-oxotetrahydro-3-furyl)-1-adamantanecarboxamide

Structural Information

Molecular Formula
C17H25NO3
SMILES
CC1(CC(C(=O)O1)NC(=O)C23CC4CC(C2)CC(C4)C3)C
InChI
InChI=1S/C17H25NO3/c1-16(2)9-13(14(19)21-16)18-15(20)17-6-10-3-11(7-17)5-12(4-10)8-17/h10-13H,3-9H2,1-2H3,(H,18,20)
InChIKey
CQJVJQSDDBROOJ-UHFFFAOYSA-N
Compound name
N-(5,5-dimethyl-2-oxooxolan-3-yl)adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.18344 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19072 167.9
[M+Na]+ 314.17266 174.5
[M+NH4]+ 309.21726 180.6
[M+K]+ 330.14660 166.6
[M-H]- 290.17616 167.7
[M+Na-2H]- 312.15811 164.1
[M]+ 291.18289 168.8
[M]- 291.18399 168.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.